ChemSpider 2D Image | (16Z)-3-Hydroxy-16-(methoxymethylene)estra-1(10),2,4-trien-17-one | C20H24O3

(16Z)-3-Hydroxy-16-(methoxymethylene)estra-1(10),2,4-trien-17-one

  • Molecular FormulaC20H24O3
  • Average mass312.403 Da
  • Monoisotopic mass312.172546 Da
  • ChemSpider ID58820354

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(16Z)-3-Hydroxy-16-(methoxymethylen)estra-1(10),2,4-trien-17-on [German] [ACD/IUPAC Name]
(16Z)-3-Hydroxy-16-(methoxymethylene)estra-1(10),2,4-trien-17-one [ACD/IUPAC Name]
(16Z)-3-Hydroxy-16-(méthoxyméthylène)estra-1(10),2,4-trién-17-one [French] [ACD/IUPAC Name]
Estra-1(10),2,4-trien-17-one, 3-hydroxy-16-(methoxymethylene)-, (16Z)- [ACD/Index Name]
150585-09-4 [RN]
16-METHOXYMETHYLENE ESTRONE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 490.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.6±3.0 kJ/mol
Flash Point: 175.2±22.2 °C
Index of Refraction: 1.627
Molar Refractivity: 90.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 334.40
ACD/KOC (pH 5.5): 2230.86
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 333.92
ACD/KOC (pH 7.4): 2227.65
Polar Surface Area: 47 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 255.7±3.0 cm3

Click to predict properties on the Chemicalize site


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